N-(2-thiophen-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-thiophen-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-thienyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-thiophen-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-thiophen-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-(2-thienyl)ethyl]isonipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CS3)C

InChI

InChI=1S/C21H28N2O3S2/c1-15-13-16(2)20(17(3)14-15)28(25,26)23-10-7-18(8-11-23)21(24)22-9-6-19-5-4-12-27-19/h4-5,12-14,18H,6-11H2,1-3H3,(H,22,24)